Geometry & MOs

Info

ID:	33698
PubChem CID:	7887538
Reduced:	OCl2S2N3H13C16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	9.11
Dipole, Da:	3.24
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=CC=C3)Cl)Cl)C

DOS

IR

Vibrations